[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H13ClFNO3 MolecularWeight: 285.698623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)Cl)F

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C13H13ClFNO3/c1-7(12(17)16-9-3-4-9)19-13(18)10-5-2-8(14)6-11(10)15/h2,5-7,9H,3-4H2,1H3,(H,16,17)/t7-/m0/s1